! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
O   -0.5861388840   2.3233909826   1.0028160980
N    1.2062960884   1.1642403961   0.2887648301
N    1.2288325054  -1.1458832363   0.0549819373
N    3.1062490329   0.0973957892  -0.4751315452
C   -2.2045953857  -0.0127065312   1.2727465736
C   -3.1810457080   0.3668695871   0.1542528497
C   -0.7688421374  -0.0410680439   0.8323585581
C   -3.2468699034  -0.6462985487  -0.9804215749
C   -0.0565357696  -1.1641778982   0.4803695221
C   -0.1030458200   1.2217246090   0.7329055738
C    1.8391663443   0.0088429255  -0.0422534331
C   -4.1987435003  -0.2179926431  -2.0873687859
C   -0.6333455686  -2.5440448631   0.5314389935
C    3.8767320100  -1.0802202176  -0.8149369518
C    3.7852861777   1.3746819537  -0.5633564407
H   -2.5005377672  -0.9747501634   1.6920610965
H   -2.3130434791   0.7071696065   2.0867957924
H   -2.9088421825   1.3471344672  -0.2473552562
H   -4.1785835784   0.4825030490   0.5892964972
H   -2.2485174279  -0.7955419493  -1.4013227933
H   -3.5595847277  -1.6168374857  -0.5834164463
H    1.6846120106   2.0524223134   0.2142008757
H   -4.2309377179  -0.9522186751  -2.8932269390
H   -3.8929904922   0.7350433335  -2.5229562608
H   -5.2167774703  -0.0956248991  -1.7131685162
H   -0.5777853417  -3.0070152205  -0.4543917325
H   -1.6678022456  -2.5755342936   0.8569726149
H   -0.0462075201  -3.1670778752   1.2077085742
H    3.2670983857  -1.9709975872  -0.7266149121
H    4.2413443506  -1.0092833014  -1.8399792800
H    4.7365842453  -1.1796424750  -0.1511091663
H    3.8838789780   1.8597467938   0.4101689454
H    4.7881597654   1.2087142849  -0.9445306504
H    3.2877929670   2.0591818903  -1.2532803093
*